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Chemical ID: 6351001
Chemical ID:
6351001
Name [?]:
N-[1-(1-adamantyl)ethyl]-3-nitrido-propanamide
SMILES [?]:
CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CC#N
InChi [?]:
InChI=1/C15H22N2O/c1-10(17-14(18)2-3-16)15-7-11-4-12(8-15)6-13(5-11)9-15/h10-13H,2,4-9H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,16,17,6,9,11,8,4,12,2,7,5,10,14,3,18,13,15/E:(4,5,6)(7,8,9)(11,12,13)/rA:18cCCCCCCCCCCCCNCOCCN/rB:s1;s2;s3;s4;s5;s6;s3s7;s7;s9;s5s10;s3s10;s2;s13;d14;s14;s16;t17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.80966 |
Area: | 422.944 |
Solvation: | -2.76394 |
Coulombic: | -22.6403 |
Bond Count [?]
All: | 20 |
Single: | 18 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 246.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.75 |
LogP (Chemaxon): | 2.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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